smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)[n+](CCCC[n+]2c(C)cc(C)cc2C)c(C)c1	ZINC000005922183	170156036	/nfs/dbraw/zinc/15/60/36/170156036.db2.gz	QUHGCUQSYQADEQ-UHFFFAOYSA-N	2	0	298.474	3.593	40	0		CHABRP
c1cc(C[NH+]2CCCCC2)ccc1C[NH+]1CCCCC1	ZINC000005634146	567932658	/nfs/dbraw/zinc/93/26/58/567932658.db2.gz	KMCXFMWYRJPFTC-UHFFFAOYSA-N	2	0	272.436	3.658	40	0		CHABRP
C[C@H]([NH3+])CC[NH+](C1CCCCC1)C1CCCCC1	ZINC000037401905	173178470	/nfs/dbraw/zinc/17/84/70/173178470.db2.gz	FRXBNNVQEIEROV-AWEZNQCLSA-N	2	0	252.446	3.691	40	0		CHABRP
CC(C)[NH2+]C[C@]1(C)C[C@H]([NH2+]C(C)C)CC(C)(C)C1	ZINC000039245128	260171638	/nfs/dbraw/zinc/17/16/38/260171638.db2.gz	IFJYEFKWFQAKDZ-GDBMZVCRSA-N	2	0	254.462	3.567	40	0		CHABRP
Cc1ccc(CN(CCC[NH+](C)C)Cc2ccco2)s1	ZINC000013992850	567912399	/nfs/dbraw/zinc/91/23/99/567912399.db2.gz	ALOCJEVBLSUHQD-UHFFFAOYSA-N	2	0	292.448	3.603	40	0		CHABRP
C[NH2+]CCCNc1cc(C)[nH+]c2c(C)cc(Cl)cc12	ZINC000222688619	529971560	/nfs/dbraw/zinc/97/15/60/529971560.db2.gz	OGYFJAFYPUFRHV-UHFFFAOYSA-N	2	0	277.799	3.526	40	0		CHABRP
CC(C)[NH2+]C[C@]1(C)C[C@@H]([NH2+]C(C)C)CC(C)(C)C1	ZINC000039245130	260171966	/nfs/dbraw/zinc/17/19/66/260171966.db2.gz	IFJYEFKWFQAKDZ-GOEBONIOSA-N	2	0	254.462	3.567	40	0		CHABRP
Cc1cc(NCC[NH3+])c2cc(Oc3ccccc3)ccc2[nH+]1	ZINC000222690807	567949128	/nfs/dbraw/zinc/94/91/28/567949128.db2.gz	VTSAYWPCIRYYRZ-UHFFFAOYSA-N	2	0	293.370	3.706	40	0		CHABRP
C[C@@H]1CC[C@H](C)[NH+]1CCCC[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000006488382	170205451	/nfs/dbraw/zinc/20/54/51/170205451.db2.gz	KQJBXZGQUIZKMR-GEEKYZPCSA-N	2	0	252.446	3.512	40	0		CHABRP
CC(C)(C)[NH+]1Cc2ccc3c(c2C1)C[N@H+](C(C)(C)C)C3	ZINC000071256551	176095460	/nfs/dbraw/zinc/09/54/60/176095460.db2.gz	XBVLQMVMFSPGES-UHFFFAOYSA-N	2	0	272.436	3.915	40	0		CHABRP
C[NH+](C)C1CCC(CC2CCC([NH+](C)C)CC2)CC1	ZINC000002572540	567848414	/nfs/dbraw/zinc/84/84/14/567848414.db2.gz	FRMXQLNWCXBIEE-UHFFFAOYSA-N	2	0	266.473	3.617	40	0		CHABRP
c1ccc2c(c1)cc[n+]1c2-c2c3ccccc3cc[n+]2CCC1	ZINC000001564230	567838179	/nfs/dbraw/zinc/83/81/79/567838179.db2.gz	NITUHIVBNYKMOP-UHFFFAOYSA-N	2	0	298.389	3.639	40	0		CHABRP
c1c2ccccc2oc1CN1CCC([NH+]2CCCCC2)CC1	ZINC000019376281	567878008	/nfs/dbraw/zinc/87/80/08/567878008.db2.gz	IKLFTNWGNDABMO-UHFFFAOYSA-N	2	0	298.430	3.883	40	0		CHABRP
C[n+]1c(C=CC=C[NH+]2CCCCC2)sc2ccccc21	ZINC000031948788	567885685	/nfs/dbraw/zinc/88/56/85/567885685.db2.gz	XLSOROZAILXFBN-UHFFFAOYSA-N	2	0	285.436	3.893	40	0		CHABRP
CCCCc1ccc2[nH+]c(C)cc(NCCC[NH2+]C)c2c1	ZINC000222692258	567948875	/nfs/dbraw/zinc/94/88/75/567948875.db2.gz	RYKNYACOYIHHCM-UHFFFAOYSA-N	2	0	285.435	3.907	40	0		CHABRP
C[NH2+]CCCNc1cc(C)[nH+]c2cc(Cl)cc(Cl)c12	ZINC000222689663	529971738	/nfs/dbraw/zinc/97/17/38/529971738.db2.gz	ZHXHDCOVFRJGCM-UHFFFAOYSA-N	2	0	298.217	3.871	40	0		CHABRP
CC[N@H+](CCCCC[NH+](C)C)Cc1cc2ccccc2o1	ZINC000003154921	567163013	/nfs/dbraw/zinc/16/30/13/567163013.db2.gz	NBSBWIMTXRSXFJ-UHFFFAOYSA-N	2	0	288.435	3.987	40	0		CHABRP
CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC	ZINC000005368444	170090081	/nfs/dbraw/zinc/09/00/81/170090081.db2.gz	NYHWSIBMLLCFQE-ROUUACIJSA-N	3	0	299.547	3.597	40	0		CHABRP
CC[NH+](CC)CCC[C@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000001676243	567841136	/nfs/dbraw/zinc/84/11/36/567841136.db2.gz	BYMCWUJUHHZIBS-YESZJQIVSA-N	2	0	266.473	3.619	40	0		CHABRP
Cc1cc[n+](CCCCCC[n+]2ccc(C)c(C)c2)cc1C	ZINC000002165313	567844692	/nfs/dbraw/zinc/84/46/92/567844692.db2.gz	KQSYVVDFXJGCRI-UHFFFAOYSA-N	2	0	298.474	3.756	40	0		CHABRP
CC[NH+](CC)CCC[C@H](C)[NH+]1C[C@H]2CCCC[C@@H]2C1	ZINC000004802678	170019470	/nfs/dbraw/zinc/01/94/70/170019470.db2.gz	BYMCWUJUHHZIBS-GVDBMIGSSA-N	2	0	266.473	3.619	40	0		CHABRP
Cc1ccc(C[NH+]2CCC3(CCCC[N@H+]3C)CC2)s1	ZINC000096051196	185074591	/nfs/dbraw/zinc/07/45/91/185074591.db2.gz	LMVPZWYVKMSTQB-UHFFFAOYSA-N	2	0	278.465	3.507	40	0		CHABRP
CC[NH+](CC)CCC[C@@H](C)[NH+]1C[C@H]2CCCC[C@@H]2C1	ZINC000004802677	170019267	/nfs/dbraw/zinc/01/92/67/170019267.db2.gz	BYMCWUJUHHZIBS-BRWVUGGUSA-N	2	0	266.473	3.619	40	0		CHABRP
CCCCc1ccc2[nH+]ccc(NCCC[NH2+]C)c2c1	ZINC000222683223	529028128	/nfs/dbraw/zinc/02/81/28/529028128.db2.gz	GAMNBMXCCKNDPW-UHFFFAOYSA-N	2	0	271.408	3.599	40	0		CHABRP
CCCCc1ccc2[nH+]c(C)cc(NCCC[NH3+])c2c1	ZINC000222692166	567949039	/nfs/dbraw/zinc/94/90/39/567949039.db2.gz	BVKXPSUFQDBSOH-UHFFFAOYSA-N	2	0	271.408	3.647	40	0		CHABRP
CCn1c2ccccc2c2cc(C[NH2+]CCC[NH2+]C)ccc21	ZINC000006871177	230369960	/nfs/dbraw/zinc/36/99/60/230369960.db2.gz	KCTRCXNYXLXIOS-UHFFFAOYSA-N	2	0	295.430	3.514	40	0		CHABRP
C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH+]1CCC([NH+]2CCCCCC2)CC1	ZINC000004703442	170002132	/nfs/dbraw/zinc/00/21/32/170002132.db2.gz	PXTVFPROXZRZNC-FGTMMUONSA-N	2	0	288.479	3.539	40	0		CHABRP
C[NH2+]CCCNc1cc(C)[nH+]c2c(C)c(Cl)ccc12	ZINC000222688327	529971593	/nfs/dbraw/zinc/97/15/93/529971593.db2.gz	ZORHNMLFASOMKA-UHFFFAOYSA-N	2	0	277.799	3.526	40	0		CHABRP
C1=C[C@H]2C[C@@H]1C[C@H]2C[NH+]1CCC([NH+]2CCCCCC2)CC1	ZINC000004703441	170002119	/nfs/dbraw/zinc/00/21/19/170002119.db2.gz	PXTVFPROXZRZNC-SQNIBIBYSA-N	2	0	288.479	3.539	40	0		CHABRP
Cc1ccc[n+](CCCCCCCC[n+]2cccc(C)c2)c1	ZINC000001559963	534547663	/nfs/dbraw/zinc/54/76/63/534547663.db2.gz	PZUQDUYGARAPPM-UHFFFAOYSA-N	2	0	298.474	3.919	40	0		CHABRP
CC(C)[NH2+]C[C@@]1(C)C[C@H]([NH2+]C(C)C)CC(C)(C)C1	ZINC000039245129	260171765	/nfs/dbraw/zinc/17/17/65/260171765.db2.gz	IFJYEFKWFQAKDZ-ZBFHGGJFSA-N	2	0	254.462	3.567	40	0		CHABRP
C[C@@H]1CC[C@@H](C)[NH+]1CCCC[N@H+]1[C@H](C)CC[C@@H]1C	ZINC000004721815	170005610	/nfs/dbraw/zinc/00/56/10/170005610.db2.gz	KQJBXZGQUIZKMR-FPCVCCKLSA-N	2	0	252.446	3.512	40	0		CHABRP
C[C@@H]1CC[C@H](C)[N@H+]1CCCC[NH+]1[C@@H](C)CC[C@@H]1C	ZINC000004721814	170005751	/nfs/dbraw/zinc/00/57/51/170005751.db2.gz	KQJBXZGQUIZKMR-YHUYYLMFSA-N	2	0	252.446	3.512	40	0		CHABRP
c1ccc(C[NH2+]CCCCC[NH2+]Cc2ccccc2)cc1	ZINC000001692563	567841679	/nfs/dbraw/zinc/84/16/79/567841679.db2.gz	IMWDTSQNQPMQDP-UHFFFAOYSA-N	2	0	282.431	3.736	40	0		CHABRP
CC[NH+](CC)CCNc1c(C)c[nH+]c2cc(Cl)ccc21	ZINC000001712667	567842128	/nfs/dbraw/zinc/84/21/28/567842128.db2.gz	SBBMENYDDCDCRR-UHFFFAOYSA-N	2	0	291.826	3.950	40	0		CHABRP
CCC[N@H+](Cc1cccnc1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000013992642	570285190	/nfs/dbraw/zinc/28/51/90/570285190.db2.gz	PMKJORXNYKOQLX-UHFFFAOYSA-N	2	0	289.467	3.603	40	0		CHABRP
CC(C)[NH2+]C[C@@]1(C)C[C@@H]([NH2+]C(C)C)CC(C)(C)C1	ZINC000039245131	260171688	/nfs/dbraw/zinc/17/16/88/260171688.db2.gz	IFJYEFKWFQAKDZ-HOCLYGCPSA-N	2	0	254.462	3.567	40	0		CHABRP
CCCC[N@@H+]1CCC[C@H]1CCC[NH2+]Cc1ccccc1	ZINC000218329930	567182918	/nfs/dbraw/zinc/18/29/18/567182918.db2.gz	YUMBEQTZFVWICQ-GOSISDBHSA-N	2	0	274.452	3.821	40	0		CHABRP
C[C@@H]([NH3+])CC[NH+](C1CCCCC1)C1CCCCC1	ZINC000037401907	173178724	/nfs/dbraw/zinc/17/87/24/173178724.db2.gz	FRXBNNVQEIEROV-CQSZACIVSA-N	2	0	252.446	3.691	40	0		CHABRP
CCCC[NH2+]CCCN(CCCC)CCC[NH2+]CCCC	ZINC000004691835	567859313	/nfs/dbraw/zinc/85/93/13/567859313.db2.gz	OHJUOEZWCWIELS-UHFFFAOYSA-N	2	0	299.547	3.648	40	0		CHABRP
CC[NH+](CC)CCC[C@@H](C)[N@H+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000004802674	170019095	/nfs/dbraw/zinc/01/90/95/170019095.db2.gz	BYMCWUJUHHZIBS-ZACQAIPSSA-N	2	0	266.473	3.619	40	0		CHABRP
Cc1ccsc1CN(CCC[NH+](C)C)Cc1ccco1	ZINC000013992849	567912348	/nfs/dbraw/zinc/91/23/48/567912348.db2.gz	NFYWVWNAAKDJRC-UHFFFAOYSA-N	2	0	292.448	3.603	40	0		CHABRP
c1ccc(C[NH+]2CCCC3(CCCC[NH2+]C3)CCC2)cc1	ZINC000095698572	570273979	/nfs/dbraw/zinc/27/39/79/570273979.db2.gz	XARHGETYFWCUFH-UHFFFAOYSA-N	2	0	286.463	3.823	40	0		CHABRP
CC(C)[Si]1(C(C)C)[NH2+][Si](C(C)C)(C(C)C)[NH2+]1	ZINC000195753959	1118240836	/nfs/dbraw/zinc/24/08/36/1118240836.db2.gz	CZPNUDIXGFJYIY-UHFFFAOYSA-N	2	0	258.558	3.704	40	0		CHABRP
Cc1cc(NCCC[NH3+])c2c(Cl)cc(Cl)cc2[nH+]1	ZINC000222689583	230398481	/nfs/dbraw/zinc/39/84/81/230398481.db2.gz	PVBXQXKKIRJZJQ-UHFFFAOYSA-N	2	0	284.190	3.611	40	0		CHABRP
[NH3+]CCCNc1cc[nH+]c2ccc(Oc3ccccc3)cc12	ZINC000222681827	534616101	/nfs/dbraw/zinc/61/61/01/534616101.db2.gz	WPLUKJNGDDLBDC-UHFFFAOYSA-N	2	0	293.370	3.788	40	0		CHABRP
C[NH+]1C(C)(C)CC([NH2+]C2CCCCC2)CC1(C)C	ZINC000255189147	1121697139	/nfs/dbraw/zinc/69/71/39/1121697139.db2.gz	OAOUGXMXMLQBRL-UHFFFAOYSA-N	2	0	252.446	3.560	40	0		CHABRP
CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](CC3CC3)C[C@@H]21	ZINC000096058333	185078996	/nfs/dbraw/zinc/07/89/96/185078996.db2.gz	YUNIKDZJGSHJDL-FHWLQOOXSA-N	2	0	284.447	3.507	40	0		CHABRP
C[NH2+]CCCNc1cc(C)[nH+]c2ccc(C(C)C)cc12	ZINC000222686533	529971584	/nfs/dbraw/zinc/97/15/84/529971584.db2.gz	ZABBVYLTUJHQGT-UHFFFAOYSA-N	2	0	271.408	3.688	40	0		CHABRP
C=Cc1cc[n+](CCCCCC[n+]2ccc(C=C)cc2)cc1	ZINC000001703765	567842087	/nfs/dbraw/zinc/84/20/87/567842087.db2.gz	YULGRIVXYGKZBS-UHFFFAOYSA-N	2	0	294.442	3.808	40	0		CHABRP
[NH3+]CCCCCCC[NH+]1CCC2(CCCCC2)CC1	ZINC000001581168	567838600	/nfs/dbraw/zinc/83/86/00/567838600.db2.gz	WINQXUMZIWMIKM-UHFFFAOYSA-N	2	0	266.473	3.942	40	0		CHABRP
CCCC[N@@H+]1CCC[C@@H]1CCC[NH2+]Cc1ccccc1	ZINC000218329857	567182435	/nfs/dbraw/zinc/18/24/35/567182435.db2.gz	YUMBEQTZFVWICQ-SFHVURJKSA-N	2	0	274.452	3.821	40	0		CHABRP
CCC[N@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000013992614	570285174	/nfs/dbraw/zinc/28/51/74/570285174.db2.gz	BWEUCAXTFZFMEE-UHFFFAOYSA-N	2	0	289.467	3.603	40	0		CHABRP
CC1(C)CC([NH2+]CCc2c[nH]c3ccccc23)CC(C)(C)[NH2+]1	ZINC000002475696	567846003	/nfs/dbraw/zinc/84/60/03/567846003.db2.gz	LATUUAMNZPPURS-UHFFFAOYSA-N	2	0	299.462	3.609	40	0		CHABRP
C[NH2+]CCCNc1cc(C)[nH+]c2c(C)ccc(Cl)c12	ZINC000222688889	529971742	/nfs/dbraw/zinc/97/17/42/529971742.db2.gz	VOWWOTBLQVHKLJ-UHFFFAOYSA-N	2	0	277.799	3.526	40	0		CHABRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)CCC[NH+](CC)CC	ZINC000005368446	170089906	/nfs/dbraw/zinc/08/99/06/170089906.db2.gz	NYHWSIBMLLCFQE-QZTJIDSGSA-N	3	0	299.547	3.597	40	0		CHABRP
CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)CCC[NH+](CC)CC	ZINC000005368441	170089919	/nfs/dbraw/zinc/08/99/19/170089919.db2.gz	NYHWSIBMLLCFQE-HDICACEKSA-N	3	0	299.547	3.597	40	0		CHABRP
[NH3+]CCCCC[NH2+]C1(c2ccccc2)CCCCC1	ZINC000038678629	174151693	/nfs/dbraw/zinc/15/16/93/174151693.db2.gz	OKTBCPWVSCKWIW-UHFFFAOYSA-N	2	0	260.425	3.565	40	0	in-vitro	CHABRP
C1C[C@H]2C[C@@H]1C[C@H]2[NH+]1CCC([NH+]2CCCCCC2)CC1	ZINC000101683668	567914926	/nfs/dbraw/zinc/91/49/26/567914926.db2.gz	XCZBNZIWHQGJOM-SOLBZPMBSA-N	2	0	276.468	3.515	40	0		CHABRP